1-benzyl-3-cyclohexyl-1-phenylurea

C20H24N2O — CID 602977

IUPAC1-benzyl-3-cyclohexyl-1-phenylurea
SMILESO=C(NC1CCCCC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c23-20(21-18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2,(H,21,23)
InChIKeySGSKMRZHYOGTQA-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.74
Rot. Bonds4

About 1-benzyl-3-cyclohexyl-1-phenylurea

1-benzyl-3-cyclohexyl-1-phenylurea (PubChem CID 602977) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-1-phenylurea
PubChem CID602977
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-benzyl-3-cyclohexyl-1-phenylurea
SMILESO=C(NC1CCCCC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c23-20(21-18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2,(H,21,23)
InChIKeySGSKMRZHYOGTQA-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclopentyl-1-phenylurea;methyl 4-[[N-(cyclopentylcarbamoyl)anilino]methyl]benzoate
CID 159783381
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea
CID 108914017
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
CID 160758866
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-phenylurea?
The IUPAC name of 1-benzyl-3-cyclohexyl-1-phenylurea (CID 602977) is 1-benzyl-3-cyclohexyl-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-phenylurea?
The canonical SMILES for 1-benzyl-3-cyclohexyl-1-phenylurea is O=C(NC1CCCCC1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-1-phenylurea?
The InChIKey is SGSKMRZHYOGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(21-18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2,(H,21,23).
What are the key properties of 1-benzyl-3-cyclohexyl-1-phenylurea?
1-benzyl-3-cyclohexyl-1-phenylurea has a molecular weight of 308.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-1-phenylurea is sourced from PubChem (CID 602977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).